Diisobutyl (2E)-2-butenedioate

Basic Information

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CAS Number

7283-69-4

Molecular Formula

C12H20O4

Molecular Weight

228.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

8 ºC

Boiling Point

122°C/5mmHg

Density

0.978

Flash Point

>110 ºC

Refractive Index

1.443

SMILES

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CC(C)COC(=O)C=CC(=O)OCC(C)C

InChI

InChI=1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5+

InChIKey

RSRICHZMFPHXLE-AATRIKPKSA-N

LogP

1.941

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

228

Safety Information

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GHS Hazard Pictograms

H316

Hazard Statement

H316 Causes mild skin irritation
Skin corrosion/irritation

Synonyms & References

English

WLN: 1Y&1OV1 2U
0M3MJB158J
2-Butenedioic acid (E)-, bis(2-methylpropyl) ester
CS-0455306
RSRICHZMFPHXLE-AATRIKPKSA-N
UNII-0M3MJB158J
EINECS 230-706-6
7283-69-4
Diisobutylester kyseliny fumarove
bis(2-methylpropyl) (E)-but-2-enedioate
fumaric acid bis-(2-methylpropyl) ester
2-Butenedioic acid (E), di-2-methylpropyl ester
MFCD00152430
AKOS015913865
2-Butenedioic acid, bis(2-methylpropyl) ester, (E)-
SCHEMBL317108
Diisobutyl (2E)-2-butenedioate
4-(4-Bromophenyl)-Piperidine HCl (1:1)
SCHEMBL429885
2-BUTENEDIOIC ACID (2E)-, BIS(2-METHYLPROPYL) ESTER
FUMARIC ACID, DIISOBUTYL ESTER
DTXSID701032483
NSC 58655
NSC-58655
Fumaric Acid Diisobutyl Ester
F87446
D3915
Diisobutyl fumarate, 98%
NSC58655
Diisobutyl fumarate
Diisobutylester kyseliny fumarove [Czech]

MDL Number

MFCD00152430

FAQ

What are the physical and chemical properties of Diisobutyl (2E)-2-butenedioate (CAS: 7283-69-4)?

Diisobutyl (2E)-2-butenedioate (CAS: 7283-69-4) is a colorless, crystalline solid with a molecular weight of approximately 232.3 g/mol. It is soluble in ethanol, acetone, and chloroform. This compound reacts readily with strong bases and acids. It has a melting point around 100°C and a boiling point around 180°C. It is sensitive to moisture and heat, making it important to store under dry conditions and handle with care.

How is Diisobutyl (2E)-2-butenedioate (CAS: 7283-69-4) typically synthesized?

Diisobutyl (2E)-2-butenedioate (CAS: 7283-69-4) is commonly synthesized via esterification of maleic anhydride with diisobutyl alcohol. The reaction is typically catalyzed by a strong acid like sulfuric acid. The yield is around 85-90%, with high selectivity towards the desired product. The reaction is monitored by thin-layer chromatography (TLC) to ensure purity.

What industries use Diisobutyl (2E)-2-butenedioate (CAS: 7283-69-4)?

Diisobutyl (2E)-2-butenedioate (CAS: 7283-69-4) is primarily used in the pharmaceutical and polymer industries. It serves as a monomer in the synthesis of copolymers and as a plasticizer in the production of flexible polyurethane foams. Additionally, it is utilized in the manufacturing of sensors and as an intermediate in the synthesis of other chemical compounds.

What precautions should be taken when handling Diisobutyl (2E)-2-butenedioate (CAS: 7283-69-4)?

When handling Diisobutyl (2E)-2-butenedioate (CAS: 7283-69-4), it is essential to wear appropriate personal protective equipment (PPE) such as goggles, gloves, and a lab coat. It should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately with appropriate absorbent materials, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.